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• W2091345567 abstract "Various exotic phenomena have been observed in epitaxially grown films and superlattices of transition-metal oxides. In these systems, not only the interface properties but also the strain-induced modification in the bulk properties play important roles. With the recent experimental activities [Y. Hotta, T. Susaki, and H. Y. Hwang, Phys. Rev. Lett. 99, 236805 (2007)] in mind, we have studied the epitaxial strain effects on the electronic structure of Mott insulator ${text{LaVO}}_{3}$. The present work is based on the calculations using density-functional theory supplemented by adding local Coulomb repulsion $U$ for $text{V}text{ }d$ orbitals. The range of strain studied here extends from $c/a=0.98$ (bulk ${text{LaVO}}_{3}$ case) to $c/a=1.107$ (${text{LaAlO}}_{3}$ substrate case). In this range of the strain, we have found the following three different antiferromagnetic spin-ordering (SO) phases. For $0.98<c/a<1.005$, the combination of $C$-type SO and $G$-type orbital ordering (OO) is the most stable. The bulk ${text{LaVO}}_{3}$ belongs to this range. For $1.005<c/a<1.095$, the ground state has $A$-type SO and $G$-type OO. ${text{LaVO}}_{3}$ epitaxially grown on ${text{SrTiO}}_{3}$ is in this range. When $c/a>1.095$, $G$-type SO with ferromagnetic OO becomes the ground state. This range includes the case of ${text{LaAlO}}_{3}$ substrate. The implications of these results with regard to the experimental data for thin films of ${text{LaVO}}_{3}$ on ${text{SrTiO}}_{3}$ and ${text{LaAlO}}_{3}$ substrates will be described. Detailed discussion is given on the mechanisms of stabilizing particular combination of SO and OO in each of three phases." @default.
• W2091345567 created "2016-06-24" @default.
• W2091345567 creator A5073799227 @default.
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• W2091345567 date "2010-09-07" @default.
• W2091345567 modified "2023-10-16" @default.
• W2091345567 title "Phase diagram of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>LaVO</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>under epitaxial strain: Implications for thin films grown on<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>SrTiO</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml=http://www.…" @default.
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• W2091345567 doi "https://doi.org/10.1103/physrevb.82.115105" @default.
• W2091345567 hasPublicationYear "2010" @default.
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